ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent n,n-DiMethylFormamide
Eps= 37.219000
Eps(inf)= 2.046330

JOB |

Energies

Energy Value Units
SCF Done: -2378.89905128 Eh

Energy Value Units
HF -2378.8990513 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0425 -2.4969 -9.4181 9.7436

Quadrupole moment

XX YY ZZ XY XZ YZ
-378.7628 -376.3534 -431.9122 -0.0461 0.0525 -4.6754

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